CID 65180088

1-amino-3-cyclopropylpropan-2-one hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CC1CC(=O)CN
InChI
InChI=1S/C6H11NO/c7-4-6(8)3-5-1-2-5/h5H,1-4,7H2
InChIKey
YOQFMSBXAJNJJA-UHFFFAOYSA-N
Compound name
1-amino-3-cyclopropylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.2
[M+Na]+ 136.07328 130.7
[M-H]- 112.07678 126.5
[M+NH4]+ 131.11788 139.5
[M+K]+ 152.04722 128.8
[M+H-H2O]+ 96.081320 116.6
[M+HCOO]- 158.08226 146.3
[M+CH3COO]- 172.09791 175.2
[M+Na-2H]- 134.05873 128.0
[M]+ 113.08351 123.1
[M]- 113.08461 123.1
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