CID 10654719

Tert-butyl n-(cyanomethyl)-n-methylcarbamate

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC#N
InChI
InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h6H2,1-4H3
InChIKey
AXNPHDXTYKKHSJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(cyanomethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

170.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 139.1
[M+Na]+ 193.094748 147.1
[M-H]- 169.098254 141.3
[M+NH4]+ 188.139353 158.1
[M+K]+ 209.068688 148.8
[M+H-H2O]+ 153.102790 127.6
[M+HCOO]- 215.103731 158.5
[M+CH3COO]- 229.119381 196.9
[M+Na-2H]- 191.080196 143.7
[M]+ 170.10498142 137.0
[M]- 170.10607858 137.0
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