CID 24695611

3-amino-n-(prop-2-yn-1-yl)propanamide hydrochloride

Structural Information

Molecular Formula
C6H10N2O
SMILES
C#CCNC(=O)CCN
InChI
InChI=1S/C6H10N2O/c1-2-5-8-6(9)3-4-7/h1H,3-5,7H2,(H,8,9)
InChIKey
OZBJBNQHMAXGTG-UHFFFAOYSA-N
Compound name
3-amino-N-prop-2-ynylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

126.079315 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 128.3
[M+Na]+ 149.068533 136.1
[M-H]- 125.072039 127.4
[M+NH4]+ 144.113138 147.2
[M+K]+ 165.042473 135.0
[M+H-H2O]+ 109.076575 117.1
[M+HCOO]- 171.077516 147.1
[M+CH3COO]- 185.093166 184.4
[M+Na-2H]- 147.053981 132.5
[M]+ 126.07876642 121.1
[M]- 126.07986358 121.1
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