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]+ 155.081506 129.7
[M+Na]+ 177.063448 143.7
[M-H]- 153.066954 137.1
[M+NH4]+ 172.108053 146.4
[M+K]+ 193.037388 140.4
[M+H-H2O]+ 137.071490 119.9
[M+HCOO]- 199.072431 152.8
[M+CH3COO]- 213.088081 195.8
[M+Na-2H]- 175.048896 136.6
[M]+ 154.07368142 130.8
[M]- 154.07477858 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.