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

32
Patents

129.1266 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.13388 124.6
[M+Na]+ 152.11582 128.6
[M-H]- 128.11932 125.6
[M+NH4]+ 147.16042 142.1
[M+K]+ 168.08976 132.0
[M+H-H2O]+ 112.12386 116.7
[M+HCOO]- 174.12480 142.8
[M+CH3COO]- 188.14045 176.2
[M+Na-2H]- 150.10127 129.7
[M]+ 129.12605 115.9
[M]- 129.12715 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