CID 138399349

6-aminohexanoylazanide

Structural Information

Molecular Formula
C6H13N2O
SMILES
C(CCN)C[CH+]C(=O)N
InChI
InChI=1S/C6H12N2O/c7-5-3-1-2-4-6(8)9/h4H,1-3,5,7H2,(H-,8,9)/p+1
InChIKey
NSFPJVJQYCOMBV-UHFFFAOYSA-O
Compound name
6-aminohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5719
References

0
Patents

129.10278 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.11006 127.8
[M+Na]+ 152.09200 133.4
[M-H]- 128.09550 127.3
[M+NH4]+ 147.13660 148.4
[M+K]+ 168.06594 127.3
[M+H-H2O]+ 112.10004 125.4
[M+HCOO]- 174.10098 151.6
[M+CH3COO]- 188.11663 170.2
[M+Na-2H]- 150.07745 134.2
[M]+ 129.10223 124.2
[M]- 129.10333 124.2
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.