CID 165993971

Acetic acid, tert-butyl n-(1-carbamimidoyl-1-cyclopropylethyl)carbamate

Structural Information

Molecular Formula
C11H21N3O2
SMILES
CC(C)(C)OC(=O)NC(C)(C1CC1)C(=N)N
InChI
InChI=1S/C11H21N3O2/c1-10(2,3)16-9(15)14-11(4,8(12)13)7-5-6-7/h7H,5-6H2,1-4H3,(H3,12,13)(H,14,15)
InChIKey
WTUCBGVZGOZQTD-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-2-cyclopropyl-1-iminopropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.16338 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17066 148.9
[M+Na]+ 250.15260 154.5
[M-H]- 226.15610 152.8
[M+NH4]+ 245.19720 161.3
[M+K]+ 266.12654 152.3
[M+H-H2O]+ 210.16064 143.5
[M+HCOO]- 272.16158 169.8
[M+CH3COO]- 286.17723 200.1
[M+Na-2H]- 248.13805 153.4
[M]+ 227.16283 149.2
[M]- 227.16393 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.