CID 76194

3-isopropoxypropylamine

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)OCCCN
InChI
InChI=1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3
InChIKey
VHYUNSUGCNKWSO-UHFFFAOYSA-N
Compound name
3-propan-2-yloxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2727
Patents

117.115364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 125.4
[M+Na]+ 140.10458 134.6
[M+NH4]+ 135.14919 133.5
[M+K]+ 156.07852 129.6
[M-H]- 116.10809 125.4
[M+Na-2H]- 138.09003 129.0
[M]+ 117.11482 126.4
[M]- 117.11591 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe