CID 2735664

53588-95-7

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC(C)(C)OC(=O)NCCC#N
InChI
InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4,6H2,1-3H3,(H,10,11)
InChIKey
NORLFIHQJFOIGS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-cyanoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

170.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 139.8
[M+Na]+ 193.094748 147.6
[M-H]- 169.098254 140.7
[M+NH4]+ 188.139353 158.2
[M+K]+ 209.068688 148.1
[M+H-H2O]+ 153.102790 128.5
[M+HCOO]- 215.103731 158.8
[M+CH3COO]- 229.119381 193.7
[M+Na-2H]- 191.080196 145.0
[M]+ 170.10498142 136.6
[M]- 170.10607858 136.6
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

patents stripe