CID 6396094

5,7-dimethyl-1,4-diazepane

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1CC(NCCN1)C
InChI
InChI=1S/C7H16N2/c1-6-5-7(2)9-4-3-8-6/h6-9H,3-5H2,1-2H3
InChIKey
KBRAFCMQLHSOQL-UHFFFAOYSA-N
Compound name
5,7-dimethyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

128.13135 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 125.8
[M+Na]+ 151.120568 129.4
[M-H]- 127.124074 124.6
[M+NH4]+ 146.165173 142.6
[M+K]+ 167.094508 131.2
[M+H-H2O]+ 111.128610 119.0
[M+HCOO]- 173.129551 140.5
[M+CH3COO]- 187.145201 170.3
[M+Na-2H]- 149.106016 130.2
[M]+ 128.13080142 115.6
[M]- 128.13189858 115.6
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