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

30
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 124.6
[M+Na]+ 151.120568 128.5
[M-H]- 127.124074 124.6
[M+NH4]+ 146.165173 142.0
[M+K]+ 167.094508 131.1
[M+H-H2O]+ 111.128610 117.5
[M+HCOO]- 173.129551 140.7
[M+CH3COO]- 187.145201 172.7
[M+Na-2H]- 149.106016 129.5
[M]+ 128.13080142 116.1
[M]- 128.13189858 116.1
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