CID 177801658

Acetic acid, tert-butyl n-(1-carbamimidoylpropyl)-n-methylcarbamate

Structural Information

Molecular Formula
C10H21N3O2
SMILES
CCC(C(=N)N)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H21N3O2/c1-6-7(8(11)12)13(5)9(14)15-10(2,3)4/h7H,6H2,1-5H3,(H3,11,12)
InChIKey
SNKGPEIYGPCSCR-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-1-iminobutan-2-yl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.16338 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.170656 153.3
[M+Na]+ 238.152598 157.0
[M-H]- 214.156104 154.3
[M+NH4]+ 233.197203 171.4
[M+K]+ 254.126538 158.5
[M+H-H2O]+ 198.160640 147.3
[M+HCOO]- 260.161581 175.0
[M+CH3COO]- 274.177231 200.0
[M+Na-2H]- 236.138046 154.0
[M]+ 215.16283142 152.6
[M]- 215.16392858 152.6
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.