CID 50987799

1,6-dimethyl-1,4-diazepane

Structural Information

Molecular Formula
C7H16N2
SMILES
CC1CNCCN(C1)C
InChI
InChI=1S/C7H16N2/c1-7-5-8-3-4-9(2)6-7/h7-8H,3-6H2,1-2H3
InChIKey
SFCRWIPFNLBDHS-UHFFFAOYSA-N
Compound name
1,6-dimethyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 124.6
[M+Na]+ 151.12057 128.5
[M-H]- 127.12407 124.6
[M+NH4]+ 146.16517 142.0
[M+K]+ 167.09451 131.1
[M+H-H2O]+ 111.12861 117.5
[M+HCOO]- 173.12955 140.7
[M+CH3COO]- 187.14520 172.7
[M+Na-2H]- 149.10602 129.5
[M]+ 128.13080 116.1
[M]- 128.13190 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