CID 52911273

1-methylazepan-4-amine dihydrochloride

Structural Information

Molecular Formula
C7H16N2
SMILES
CN1CCCC(CC1)N
InChI
InChI=1S/C7H16N2/c1-9-5-2-3-7(8)4-6-9/h7H,2-6,8H2,1H3
InChIKey
LYRZFDLVKYYDOX-UHFFFAOYSA-N
Compound name
1-methylazepan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

128.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 124.3
[M+Na]+ 151.120568 127.7
[M-H]- 127.124074 126.6
[M+NH4]+ 146.165173 143.1
[M+K]+ 167.094508 131.0
[M+H-H2O]+ 111.128610 117.9
[M+HCOO]- 173.129551 143.5
[M+CH3COO]- 187.145201 176.5
[M+Na-2H]- 149.106016 129.0
[M]+ 128.13080142 115.4
[M]- 128.13189858 115.4
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

patents stripe