CID 68229679

1-(1-aminocyclopropyl)propan-1-onehydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
CCC(=O)C1(CC1)N
InChI
InChI=1S/C6H11NO/c1-2-5(8)6(7)3-4-6/h2-4,7H2,1H3
InChIKey
JMIZXRPWLANTNH-UHFFFAOYSA-N
Compound name
1-(1-aminocyclopropyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 122.7
[M+Na]+ 136.07328 131.8
[M-H]- 112.07678 127.4
[M+NH4]+ 131.11788 141.9
[M+K]+ 152.04722 130.9
[M+H-H2O]+ 96.081320 118.4
[M+HCOO]- 158.08226 146.4
[M+CH3COO]- 172.09791 174.8
[M+Na-2H]- 134.05873 129.5
[M]+ 113.08351 124.0
[M]- 113.08461 124.0
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