CID 251476

1,4-dimethyl-1,4-diazepane

Structural Information

Molecular Formula
C7H16N2
SMILES
CN1CCCN(CC1)C
InChI
InChI=1S/C7H16N2/c1-8-4-3-5-9(2)7-6-8/h3-7H2,1-2H3
InChIKey
YQWYNMOCRRYVCE-UHFFFAOYSA-N
Compound name
1,4-dimethyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1258
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 135.3
[M+NH4]+ 146.16517 133.6
[M+K]+ 167.09451 131.1
[M-H]- 127.12407 126.8
[M+Na-2H]- 149.10602 131.3
[M]+ 128.13080 127.3
[M]- 128.13190 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe