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

10
Patents

171.17355 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.18083 138.2
[M+Na]+ 194.16277 145.7
[M+NH4]+ 189.20737 145.0
[M+K]+ 210.13671 141.7
[M-H]- 170.16627 139.0
[M+Na-2H]- 192.14822 142.3
[M]+ 171.17300 139.2
[M]- 171.17410 139.2
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