CID 414092

5-(isopropylamino)pentanol

Structural Information

Molecular Formula
C8H19NO
SMILES
CC(C)NCCCCCO
InChI
InChI=1S/C8H19NO/c1-8(2)9-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
InChIKey
UEXRIBOEINFZJS-UHFFFAOYSA-N
Compound name
5-(propan-2-ylamino)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

145.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 136.6
[M+Na]+ 168.13589 141.4
[M-H]- 144.13939 135.0
[M+NH4]+ 163.18049 157.1
[M+K]+ 184.10983 140.6
[M+H-H2O]+ 128.14393 131.5
[M+HCOO]- 190.14487 158.4
[M+CH3COO]- 204.16052 178.2
[M+Na-2H]- 166.12134 140.9
[M]+ 145.14612 136.6
[M]- 145.14722 136.6
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