CID 12950986

4-(isopropylamino)butanol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)NCCCCO
InChI
InChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKey
IPLWOCGPIGUXOR-UHFFFAOYSA-N
Compound name
4-(propan-2-ylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

131.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 132.0
[M+Na]+ 154.12023 137.2
[M-H]- 130.12373 130.6
[M+NH4]+ 149.16483 153.1
[M+K]+ 170.09417 136.7
[M+H-H2O]+ 114.12827 127.1
[M+HCOO]- 176.12921 154.1
[M+CH3COO]- 190.14486 175.1
[M+Na-2H]- 152.10568 136.8
[M]+ 131.13046 131.6
[M]- 131.13156 131.6
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