CID 2764424

4943-83-3

Structural Information

Molecular Formula
C10H10N2O
SMILES
C#CCNC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C10H10N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h1,3-6H,7,11H2,(H,12,13)
InChIKey
PTBKEYHFNHZYAW-UHFFFAOYSA-N
Compound name
2-amino-N-prop-2-ynylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

174.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 142.5
[M+Na]+ 197.068538 151.3
[M-H]- 173.072044 144.1
[M+NH4]+ 192.113143 159.6
[M+K]+ 213.042478 147.4
[M+H-H2O]+ 157.076580 130.3
[M+HCOO]- 219.077521 161.4
[M+CH3COO]- 233.093171 192.1
[M+Na-2H]- 195.053986 146.2
[M]+ 174.07877142 134.6
[M]- 174.07986858 134.6
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