CID 50989160

Methyl n-(cyanomethyl)-n-cyclopropylcarbamate

Structural Information

Molecular Formula
C7H10N2O2
SMILES
COC(=O)N(CC#N)C1CC1
InChI
InChI=1S/C7H10N2O2/c1-11-7(10)9(5-4-8)6-2-3-6/h6H,2-3,5H2,1H3
InChIKey
CTZBHUSJQJFDTJ-UHFFFAOYSA-N
Compound name
methyl N-(cyanomethyl)-N-cyclopropylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 129.7
[M+Na]+ 177.06345 143.7
[M-H]- 153.06695 137.1
[M+NH4]+ 172.10805 146.4
[M+K]+ 193.03739 140.4
[M+H-H2O]+ 137.07149 119.9
[M+HCOO]- 199.07243 152.8
[M+CH3COO]- 213.08808 195.8
[M+Na-2H]- 175.04890 136.6
[M]+ 154.07368 130.8
[M]- 154.07478 130.8
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

No patent data available for this compound.