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

12
Patents

170.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 139.1
[M+Na]+ 193.09475 147.1
[M-H]- 169.09825 141.3
[M+NH4]+ 188.13935 158.1
[M+K]+ 209.06869 148.8
[M+H-H2O]+ 153.10279 127.6
[M+HCOO]- 215.10373 158.5
[M+CH3COO]- 229.11938 196.9
[M+Na-2H]- 191.08020 143.7
[M]+ 170.10498 137.0
[M]- 170.10608 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