CID 108010

(2s)-2,7-diamino-7-iminoheptanoic acid

Structural Information

Molecular Formula
C7H15N3O2
SMILES
C(CCC(=N)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1
InChIKey
SILQDLDAWPQMEL-YFKPBYRVSA-N
Compound name
(2S)-2,7-diamino-7-iminoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

162
Patents

173.11642 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12370 140.8
[M+Na]+ 196.10564 144.3
[M-H]- 172.10914 138.4
[M+NH4]+ 191.15024 158.4
[M+K]+ 212.07958 143.4
[M+H-H2O]+ 156.11368 134.6
[M+HCOO]- 218.11462 162.3
[M+CH3COO]- 232.13027 186.4
[M+Na-2H]- 194.09109 141.2
[M]+ 173.11587 135.4
[M]- 173.11697 135.4
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

No patent data available for this compound.