CID 23598215

91419-50-0

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(C)(C)OC(=O)NCCCC#N
InChI
InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5,7H2,1-3H3,(H,11,12)
InChIKey
HATNBHAMKDNLMC-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyanopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

184.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 143.4
[M+Na]+ 207.11041 151.1
[M+NH4]+ 202.15501 146.3
[M+K]+ 223.08435 144.1
[M-H]- 183.11391 134.9
[M+Na-2H]- 205.09586 143.6
[M]+ 184.12064 141.0
[M]- 184.12174 141.0
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