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

4
Patents

113.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.2
[M+Na]+ 136.073278 130.7
[M-H]- 112.076784 126.5
[M+NH4]+ 131.117883 139.5
[M+K]+ 152.047218 128.8
[M+H-H2O]+ 96.081320 116.6
[M+HCOO]- 158.082261 146.3
[M+CH3COO]- 172.097911 175.2
[M+Na-2H]- 134.058726 128.0
[M]+ 113.08351142 123.1
[M]- 113.08460858 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