CID 1778754

219310-08-4

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCCC[C@@H](CC(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-2-3-4-6(8)5-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey
FUENJGFCFZKXBX-LURJTMIESA-N
Compound name
(3S)-3-aminoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

145.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 134.4
[M+Na]+ 168.099498 139.7
[M-H]- 144.103004 132.5
[M+NH4]+ 163.144103 154.4
[M+K]+ 184.073438 139.1
[M+H-H2O]+ 128.107540 129.4
[M+HCOO]- 190.108481 155.3
[M+CH3COO]- 204.124131 176.4
[M+Na-2H]- 166.084946 136.8
[M]+ 145.10973142 133.1
[M]- 145.11082858 133.1
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