CID 45092391

351029-70-4

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CC(CNC(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C9H16N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,6H2,1-4H3,(H,11,12)
InChIKey
WSUKSIUVTGLCTO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-cyanopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

184.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 144.8
[M+Na]+ 207.110408 152.0
[M-H]- 183.113914 145.5
[M+NH4]+ 202.155013 162.6
[M+K]+ 223.084348 152.7
[M+H-H2O]+ 167.118450 133.4
[M+HCOO]- 229.119391 162.5
[M+CH3COO]- 243.135041 197.2
[M+Na-2H]- 205.095856 148.3
[M]+ 184.12064142 141.3
[M]- 184.12173858 141.3
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