CID 65021

Bellenamine

Structural Information

Molecular Formula
C7H18N4O
SMILES
C(C[C@H](CC(=O)NCN)N)CN
InChI
InChI=1S/C7H18N4O/c8-3-1-2-6(10)4-7(12)11-5-9/h6H,1-5,8-10H2,(H,11,12)/t6-/m1/s1
InChIKey
CRSXNVVRUNDJIA-ZCFIWIBFSA-N
Compound name
(3R)-3,6-diamino-N-(aminomethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

101
Patents

174.14806 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.15534 141.0
[M+Na]+ 197.13728 144.2
[M-H]- 173.14078 139.4
[M+NH4]+ 192.18188 158.9
[M+K]+ 213.11122 143.6
[M+H-H2O]+ 157.14532 134.2
[M+HCOO]- 219.14626 164.9
[M+CH3COO]- 233.16191 190.7
[M+Na-2H]- 195.12273 142.5
[M]+ 174.14751 135.6
[M]- 174.14861 135.6
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