CID 85579

3-propoxypropylamine

Structural Information

Molecular Formula
C6H15NO
SMILES
CCCOCCCN
InChI
InChI=1S/C6H15NO/c1-2-5-8-6-3-4-7/h2-7H2,1H3
InChIKey
UTOXFQVLOTVLSD-UHFFFAOYSA-N
Compound name
3-propoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1695
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.2
[M+Na]+ 140.10458 132.6
[M-H]- 116.10809 125.9
[M+NH4]+ 135.14919 148.5
[M+K]+ 156.07852 132.5
[M+H-H2O]+ 100.11262 121.4
[M+HCOO]- 162.11356 150.6
[M+CH3COO]- 176.12922 173.3
[M+Na-2H]- 138.09003 132.5
[M]+ 117.11482 127.1
[M]- 117.11591 127.1
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