CID 251476

1,4-dimethylhomopiperazine

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

1307
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 123.3
[M+Na]+ 151.12057 127.6
[M-H]- 127.12407 124.7
[M+NH4]+ 146.16517 141.4
[M+K]+ 167.09451 131.0
[M+H-H2O]+ 111.12861 116.1
[M+HCOO]- 173.12955 140.9
[M+CH3COO]- 187.14520 175.3
[M+Na-2H]- 149.10602 128.8
[M]+ 128.13080 116.6
[M]- 128.13190 116.6
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