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 137.4
[M+Na]+ 194.16277 140.2
[M-H]- 170.16627 138.0
[M+NH4]+ 189.20737 153.3
[M+K]+ 210.13671 143.0
[M+H-H2O]+ 154.17081 129.0
[M+HCOO]- 216.17175 154.8
[M+CH3COO]- 230.18740 184.8
[M+Na-2H]- 192.14822 141.1
[M]+ 171.17300 129.8
[M]- 171.17410 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