CID 12438048

1,3-dimethyl-1,4-diazepane

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1CN(CCCN1)C
InChI
InChI=1S/C7H16N2/c1-7-6-9(2)5-3-4-8-7/h7-8H,3-6H2,1-2H3
InChIKey
CPZHVHQMQBDZMW-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 126.0
[M+Na]+ 151.12057 134.9
[M+NH4]+ 146.16517 133.5
[M+K]+ 167.09451 131.0
[M-H]- 127.12407 126.4
[M+Na-2H]- 149.10602 130.9
[M]+ 128.13080 127.2
[M]- 128.13190 127.2
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