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]+ 187.144106 144.6
[M+Na]+ 209.126048 149.3
[M-H]- 185.129554 143.8
[M+NH4]+ 204.170653 163.5
[M+K]+ 225.099988 148.0
[M+H-H2O]+ 169.134090 138.5
[M+HCOO]- 231.135031 168.7
[M+CH3COO]- 245.150681 187.0
[M+Na-2H]- 207.111496 148.1
[M]+ 186.13628142 145.0
[M]- 186.13737858 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.