CID 13092853

3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine

Structural Information

Molecular Formula
C9H21N3
SMILES
CN1CCCN(CC1)CCCN
InChI
InChI=1S/C9H21N3/c1-11-5-3-7-12(9-8-11)6-2-4-10/h2-10H2,1H3
InChIKey
VRSWRZBNEHRBSL-UHFFFAOYSA-N
Compound name
3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

171.17355 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 137.4
[M+Na]+ 194.162768 140.2
[M-H]- 170.166274 138.0
[M+NH4]+ 189.207373 153.3
[M+K]+ 210.136708 143.0
[M+H-H2O]+ 154.170810 129.0
[M+HCOO]- 216.171751 154.8
[M+CH3COO]- 230.187401 184.8
[M+Na-2H]- 192.148216 141.1
[M]+ 171.17300142 129.8
[M]- 171.17409858 129.8
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