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

2830
Patents

117.115364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 127.1
[M+Na]+ 140.104582 133.2
[M-H]- 116.108088 126.9
[M+NH4]+ 135.149187 149.3
[M+K]+ 156.078522 133.5
[M+H-H2O]+ 100.112624 122.3
[M+HCOO]- 162.113565 150.5
[M+CH3COO]- 176.129215 174.1
[M+Na-2H]- 138.090030 132.0
[M]+ 117.11481542 127.3
[M]- 117.11591258 127.3
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