CID 25244460

Calmodulin

Structural Information

Molecular Formula
C7H15N3O2
SMILES
C(CCN)C[C@@H](C(=O)N)NC=O
InChI
InChI=1S/C7H15N3O2/c8-4-2-1-3-6(7(9)12)10-5-11/h5-6H,1-4,8H2,(H2,9,12)(H,10,11)/t6-/m0/s1
InChIKey
DKPYGQKMNSGPGT-LURJTMIESA-N
Compound name
(2S)-6-amino-2-formamidohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15040
References

9
Patents

173.11642 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12370 139.3
[M+Na]+ 196.10564 143.5
[M-H]- 172.10914 138.3
[M+NH4]+ 191.15024 157.8
[M+K]+ 212.07958 143.0
[M+H-H2O]+ 156.11368 132.9
[M+HCOO]- 218.11462 163.4
[M+CH3COO]- 232.13027 187.8
[M+Na-2H]- 194.09109 141.7
[M]+ 173.11587 136.5
[M]- 173.11697 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe