CID 13778611

(s)-2-isopropylamino-3-methyl-1-butanol

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)[C@@H](CO)NC(C)C
InChI
InChI=1S/C8H19NO/c1-6(2)8(5-10)9-7(3)4/h6-10H,5H2,1-4H3/t8-/m1/s1
InChIKey
ANZBKMZVBJDTEL-MRVPVSSYSA-N
Compound name
(2S)-3-methyl-2-(propan-2-ylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

145.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 135.7
[M+Na]+ 168.13589 143.5
[M+NH4]+ 163.18049 142.9
[M+K]+ 184.10983 139.7
[M-H]- 144.13939 134.8
[M+Na-2H]- 166.12134 137.8
[M]+ 145.14612 136.2
[M]- 145.14722 136.2
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