CID 11051955

(s)-2,7-diaminoheptanoic acid

Structural Information

Molecular Formula
C7H16N2O2
SMILES
C(CC[C@@H](C(=O)O)N)CCN
InChI
InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6(9)7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1
InChIKey
NMDDZEVVQDPECF-LURJTMIESA-N
Compound name
(2S)-2,7-diaminoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5267
Patents

160.12119 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.128466 138.2
[M+Na]+ 183.110408 142.6
[M-H]- 159.113914 135.7
[M+NH4]+ 178.155013 156.9
[M+K]+ 199.084348 141.6
[M+H-H2O]+ 143.118450 132.5
[M+HCOO]- 205.119391 159.5
[M+CH3COO]- 219.135041 181.0
[M+Na-2H]- 181.095856 139.7
[M]+ 160.12064142 135.0
[M]- 160.12173858 135.0
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