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 128.6
[M+Na]+ 165.13622 131.6
[M-H]- 141.13972 130.8
[M+NH4]+ 160.18082 146.9
[M+K]+ 181.11016 134.8
[M+H-H2O]+ 125.14426 122.1
[M+HCOO]- 187.14520 147.5
[M+CH3COO]- 201.16085 179.3
[M+Na-2H]- 163.12167 132.8
[M]+ 142.14645 120.1
[M]- 142.14755 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