CID 16212936

N-alloc-1,5-pentanediamine hydrochloride

Structural Information

Molecular Formula
C9H18N2O2
SMILES
C=CCOC(=O)NCCCCCN
InChI
InChI=1S/C9H18N2O2/c1-2-8-13-9(12)11-7-5-3-4-6-10/h2H,1,3-8,10H2,(H,11,12)
InChIKey
HSMIIEJPSZWRHP-UHFFFAOYSA-N
Compound name
prop-2-enyl N-(5-aminopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.6
[M+Na]+ 209.12605 149.3
[M-H]- 185.12955 143.8
[M+NH4]+ 204.17065 163.5
[M+K]+ 225.09999 148.0
[M+H-H2O]+ 169.13409 138.5
[M+HCOO]- 231.13503 168.7
[M+CH3COO]- 245.15068 187.0
[M+Na-2H]- 207.11150 148.1
[M]+ 186.13628 145.0
[M]- 186.13738 145.0
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

No patent data available for this compound.