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

16
Patents

128.13135 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 125.8
[M+Na]+ 151.12057 129.4
[M-H]- 127.12407 124.6
[M+NH4]+ 146.16517 142.6
[M+K]+ 167.09451 131.2
[M+H-H2O]+ 111.12861 119.0
[M+HCOO]- 173.12955 140.5
[M+CH3COO]- 187.14520 170.3
[M+Na-2H]- 149.10602 130.2
[M]+ 128.13080 115.6
[M]- 128.13190 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