CID 83904938

(1-methylazepan-3-yl)methanamine

Structural Information

Molecular Formula
C8H18N2
SMILES
CN1CCCCC(C1)CN
InChI
InChI=1S/C8H18N2/c1-10-5-3-2-4-8(6-9)7-10/h8H,2-7,9H2,1H3
InChIKey
QQVUZSSMFQVXJA-UHFFFAOYSA-N
Compound name
(1-methylazepan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.147 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.154276 128.6
[M+Na]+ 165.136218 131.6
[M-H]- 141.139724 130.8
[M+NH4]+ 160.180823 146.9
[M+K]+ 181.110158 134.8
[M+H-H2O]+ 125.144260 122.1
[M+HCOO]- 187.145201 147.5
[M+CH3COO]- 201.160851 179.3
[M+Na-2H]- 163.121666 132.8
[M]+ 142.14645142 120.1
[M]- 142.14754858 120.1
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