CID 522925

6-methyl-1,4-diazepane

Structural Information

Molecular Formula
C6H14N2
SMILES
CC1CNCCNC1
InChI
InChI=1S/C6H14N2/c1-6-4-7-2-3-8-5-6/h6-8H,2-5H2,1H3
InChIKey
VMJOIXFVKVPLRQ-UHFFFAOYSA-N
Compound name
6-methyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

114.1157 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.12298 121.8
[M+Na]+ 137.10492 124.8
[M-H]- 113.10842 120.3
[M+NH4]+ 132.14952 138.7
[M+K]+ 153.07886 126.7
[M+H-H2O]+ 97.112960 114.8
[M+HCOO]- 159.11390 136.8
[M+CH3COO]- 173.12955 166.4
[M+Na-2H]- 135.09037 127.3
[M]+ 114.11515 110.8
[M]- 114.11625 110.8
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