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]+ 146.153946 137.5
[M+Na]+ 168.135888 142.0
[M-H]- 144.139394 136.2
[M+NH4]+ 163.180493 158.0
[M+K]+ 184.109828 142.1
[M+H-H2O]+ 128.143930 132.7
[M+HCOO]- 190.144871 157.4
[M+CH3COO]- 204.160521 180.0
[M+Na-2H]- 166.121336 139.2
[M]+ 145.14612142 136.3
[M]- 145.14721858 136.3
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