CID 68229679

2839139-06-7

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]+ 114.091336 122.7
[M+Na]+ 136.073278 131.8
[M-H]- 112.076784 127.4
[M+NH4]+ 131.117883 141.9
[M+K]+ 152.047218 130.9
[M+H-H2O]+ 96.081320 118.4
[M+HCOO]- 158.082261 146.4
[M+CH3COO]- 172.097911 174.8
[M+Na-2H]- 134.058726 129.5
[M]+ 113.08351142 124.0
[M]- 113.08460858 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