CID 14999039

1,4-dimethyl-1,4-diazepan-6-amine

Structural Information

Molecular Formula
C7H17N3
SMILES
CN1CCN(CC(C1)N)C
InChI
InChI=1S/C7H17N3/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6,8H2,1-2H3
InChIKey
RWICYHQFRMCCEX-UHFFFAOYSA-N
Compound name
1,4-dimethyl-1,4-diazepan-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

143.14224 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.14952 128.8
[M+Na]+ 166.13146 133.3
[M-H]- 142.13496 130.1
[M+NH4]+ 161.17606 146.1
[M+K]+ 182.10540 136.7
[M+H-H2O]+ 126.13950 121.1
[M+HCOO]- 188.14044 146.8
[M+CH3COO]- 202.15609 180.1
[M+Na-2H]- 164.11691 132.8
[M]+ 143.14169 120.9
[M]- 143.14279 120.9
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