CID 11137906

Benzyl prop-2-yn-1-ylcarbamate

Structural Information

Molecular Formula
C11H11NO2
SMILES
C#CCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C11H11NO2/c1-2-8-12-11(13)14-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,12,13)
InChIKey
SVBHWCDDVMKYTN-UHFFFAOYSA-N
Compound name
benzyl N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

301
Patents

189.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 143.9
[M+Na]+ 212.06820 152.4
[M-H]- 188.07170 145.6
[M+NH4]+ 207.11280 160.8
[M+K]+ 228.04214 148.8
[M+H-H2O]+ 172.07624 131.5
[M+HCOO]- 234.07718 162.5
[M+CH3COO]- 248.09283 191.1
[M+Na-2H]- 210.05365 148.7
[M]+ 189.07843 138.9
[M]- 189.07953 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe