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]+ 143.15428 129.8
[M+Na]+ 165.13622 137.8
[M+NH4]+ 160.18082 137.6
[M+K]+ 181.11016 133.8
[M-H]- 141.13972 131.6
[M+Na-2H]- 163.12167 134.7
[M]+ 142.14645 131.2
[M]- 142.14755 131.2
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

patents stripe