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

70
Patents

128.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 124.3
[M+Na]+ 151.12057 127.7
[M-H]- 127.12407 126.6
[M+NH4]+ 146.16517 143.1
[M+K]+ 167.09451 131.0
[M+H-H2O]+ 111.12861 117.9
[M+HCOO]- 173.12955 143.5
[M+CH3COO]- 187.14520 176.5
[M+Na-2H]- 149.10602 129.0
[M]+ 128.13080 115.4
[M]- 128.13190 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