CID 16228707

1090904-48-5

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)NC1CC(C1)N
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5,10H2,1-3H3,(H,11,12)
InChIKey
OPDOEOOBYOABCJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-aminocyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

476
Patents

186.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 146.6
[M+Na]+ 209.126048 150.1
[M-H]- 185.129554 149.4
[M+NH4]+ 204.170653 159.1
[M+K]+ 225.099988 153.2
[M+H-H2O]+ 169.134090 135.3
[M+HCOO]- 231.135031 166.8
[M+CH3COO]- 245.150681 189.9
[M+Na-2H]- 207.111496 149.3
[M]+ 186.13628142 153.0
[M]- 186.13737858 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe