CID 70940

1192-95-6

Structural Information

Molecular Formula
C7H15N
SMILES
CN1CCCCCC1
InChI
InChI=1S/C7H15N/c1-8-6-4-2-3-5-7-8/h2-7H2,1H3
InChIKey
ZKUKXSWKWGHYKJ-UHFFFAOYSA-N
Compound name
1-methylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4213
Patents

113.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.127726 119.3
[M+Na]+ 136.109668 122.5
[M-H]- 112.113174 121.7
[M+NH4]+ 131.154273 138.9
[M+K]+ 152.083608 125.9
[M+H-H2O]+ 96.117710 113.5
[M+HCOO]- 158.118651 138.1
[M+CH3COO]- 172.134301 171.8
[M+Na-2H]- 134.095116 125.5
[M]+ 113.11990142 111.7
[M]- 113.12099858 111.7
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

No patent data available for this compound.