CID 13154318

4-methyl-1,4-diazepan-1-amine

Structural Information

Molecular Formula
C6H15N3
SMILES
CN1CCCN(CC1)N
InChI
InChI=1S/C6H15N3/c1-8-3-2-4-9(7)6-5-8/h2-7H2,1H3
InChIKey
CSKAHKYQYIVOIM-UHFFFAOYSA-N
Compound name
4-methyl-1,4-diazepan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

129.1266 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.133876 124.6
[M+Na]+ 152.115818 128.6
[M-H]- 128.119324 125.6
[M+NH4]+ 147.160423 142.1
[M+K]+ 168.089758 132.0
[M+H-H2O]+ 112.123860 116.7
[M+HCOO]- 174.124801 142.8
[M+CH3COO]- 188.140451 176.2
[M+Na-2H]- 150.101266 129.7
[M]+ 129.12605142 115.9
[M]- 129.12714858 115.9
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